SCHEMBL3265095

SCHEMBL3265095

CCC(CC(=O)O)(c1ccc(F)cc1)c1nc(Nc2cc[nH]n2)n2cccc2n1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.36
CSNK1E P49674 2/20 0.36
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1299076 0.81 CSNK1D (0.34) CSNK1DCSNK1EKDM4EALDH1A1HPGD
SCHEMBL1298762 0.79 CSNK1D (0.34) CSNK1DCSNK1EKDM4EALDH1A1HPGD
SCHEMBL1298181 0.73 CSNK1D (0.39) CSNK1DCSNK1EKDM4EALDH1A1HPGD
SCHEMBL1298537 0.72 ALDH1A1 (0.35) CSNK1DCSNK1EKDM4EALDH1A1HPGD
SCHEMBL1298845 0.70 AURKA (0.32) CSNK1DCSNK1EKDM4EALDH1A1HPGD
SCHEMBL1298945 0.70 MAPK1 (0.35) CSNK1DCSNK1EKDM4EALDH1A1HPGD
SCHEMBL1298569 0.70 MAPK1 (0.46) KDM4EALDH1A1HPGD
SCHEMBL1298741 0.69 CSNK1D (0.32) CSNK1DCSNK1E
SCHEMBL1298977 0.69 GPR139 (0.31) CSNK1DCSNK1EKDM4EALDH1A1HPGD
SCHEMBL1298491 0.69 JAK2 (0.38) CSNK1DCSNK1EKDM4EALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 WO claimed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 WO disclosed